USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 351 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 SER OG : rot 130:sc= -2.45 USER MOD Single : A 142 HIS : no HE2:sc= -6.85! C(o=-6.9!,f=-8.5!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 SER OG : rot 180:sc= 0.0713 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot -94:sc= 0.489 USER MOD Single : A 159 THR OG1 : rot 17:sc= -0.0237 USER MOD Single : A 165 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0691) USER MOD Single : A 169 LYS NZ :NH3+ -171:sc= 1.16 (180deg=0.779) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 126 -6.255 6.328 -13.035 1.00 0.00 N ATOM 2 CA GLN A 126 -6.001 6.267 -11.571 1.00 0.00 C ATOM 3 C GLN A 126 -7.131 6.926 -10.788 1.00 0.00 C ATOM 4 O GLN A 126 -7.817 7.814 -11.296 1.00 0.00 O ATOM 5 CB GLN A 126 -4.675 6.971 -11.278 1.00 0.00 C ATOM 6 CG GLN A 126 -3.497 6.396 -12.049 1.00 0.00 C ATOM 7 CD GLN A 126 -2.247 6.275 -11.199 1.00 0.00 C ATOM 8 OE1 GLN A 126 -1.894 7.192 -10.459 1.00 0.00 O ATOM 9 NE2 GLN A 126 -1.571 5.136 -11.301 1.00 0.00 N ATOM 0 HA GLN A 126 -5.951 5.224 -11.259 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -4.774 8.029 -11.519 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -4.467 6.905 -10.210 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -3.766 5.413 -12.436 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -3.286 7.030 -12.910 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -1.900 4.402 -11.928 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -0.723 4.996 -10.753 1.00 0.00 H new ATOM 20 N ASN A 127 -7.321 6.485 -9.549 1.00 0.00 N ATOM 21 CA ASN A 127 -8.369 7.032 -8.696 1.00 0.00 C ATOM 22 C ASN A 127 -7.803 8.082 -7.745 1.00 0.00 C ATOM 23 O ASN A 127 -6.587 8.203 -7.590 1.00 0.00 O ATOM 24 CB ASN A 127 -9.043 5.913 -7.897 1.00 0.00 C ATOM 25 CG ASN A 127 -10.307 5.408 -8.563 1.00 0.00 C ATOM 26 OD1 ASN A 127 -11.410 5.854 -8.247 1.00 0.00 O ATOM 27 ND2 ASN A 127 -10.154 4.470 -9.491 1.00 0.00 N ATOM 0 H ASN A 127 -6.763 5.751 -9.114 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.111 7.509 -9.336 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -8.344 5.085 -7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -9.283 6.277 -6.898 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -10.969 4.091 -9.973 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -9.221 4.129 -9.722 1.00 0.00 H new ATOM 34 N ASN A 128 -8.693 8.839 -7.111 1.00 0.00 N ATOM 35 CA ASN A 128 -8.281 9.880 -6.174 1.00 0.00 C ATOM 36 C ASN A 128 -8.552 9.452 -4.735 1.00 0.00 C ATOM 37 O ASN A 128 -8.825 10.285 -3.870 1.00 0.00 O ATOM 38 CB ASN A 128 -9.014 11.189 -6.482 1.00 0.00 C ATOM 39 CG ASN A 128 -8.081 12.264 -7.004 1.00 0.00 C ATOM 40 OD1 ASN A 128 -7.942 13.328 -6.401 1.00 0.00 O ATOM 41 ND2 ASN A 128 -7.436 11.991 -8.132 1.00 0.00 N ATOM 0 H ASN A 128 -9.702 8.752 -7.228 1.00 0.00 H new ATOM 0 HA ASN A 128 -7.209 10.039 -6.289 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -9.795 11.000 -7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -9.508 11.547 -5.579 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -6.795 12.676 -8.532 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -7.581 11.096 -8.599 1.00 0.00 H new ATOM 48 N ASP A 129 -8.476 8.149 -4.487 1.00 0.00 N ATOM 49 CA ASP A 129 -8.712 7.611 -3.152 1.00 0.00 C ATOM 50 C ASP A 129 -8.209 6.174 -3.049 1.00 0.00 C ATOM 51 O ASP A 129 -8.831 5.334 -2.398 1.00 0.00 O ATOM 52 CB ASP A 129 -10.203 7.668 -2.814 1.00 0.00 C ATOM 53 CG ASP A 129 -10.463 7.538 -1.327 1.00 0.00 C ATOM 54 OD1 ASP A 129 -10.339 8.555 -0.611 1.00 0.00 O ATOM 55 OD2 ASP A 129 -10.792 6.420 -0.876 1.00 0.00 O ATOM 0 H ASP A 129 -8.253 7.446 -5.192 1.00 0.00 H new ATOM 0 HA ASP A 129 -8.161 8.222 -2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.618 8.610 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.723 6.869 -3.342 1.00 0.00 H new ATOM 60 N ALA A 130 -7.080 5.900 -3.694 1.00 0.00 N ATOM 61 CA ALA A 130 -6.494 4.564 -3.674 1.00 0.00 C ATOM 62 C ALA A 130 -5.246 4.526 -2.800 1.00 0.00 C ATOM 63 O ALA A 130 -4.990 3.541 -2.108 1.00 0.00 O ATOM 64 CB ALA A 130 -6.163 4.112 -5.088 1.00 0.00 C ATOM 0 H ALA A 130 -6.553 6.584 -4.237 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.227 3.879 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -5.726 3.114 -5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.074 4.092 -5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.451 4.806 -5.535 1.00 0.00 H new ATOM 70 N LEU A 131 -4.472 5.605 -2.838 1.00 0.00 N ATOM 71 CA LEU A 131 -3.249 5.697 -2.050 1.00 0.00 C ATOM 72 C LEU A 131 -3.392 6.740 -0.946 1.00 0.00 C ATOM 73 O LEU A 131 -4.171 7.685 -1.067 1.00 0.00 O ATOM 74 CB LEU A 131 -2.062 6.050 -2.951 1.00 0.00 C ATOM 75 CG LEU A 131 -1.254 4.852 -3.455 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.547 4.161 -2.300 1.00 0.00 C ATOM 77 CD2 LEU A 131 -2.157 3.874 -4.191 1.00 0.00 C ATOM 0 H LEU A 131 -4.670 6.428 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.069 4.726 -1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.432 6.608 -3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.394 6.715 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.498 5.214 -4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.022 3.312 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.129 4.864 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.285 3.811 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -1.567 3.028 -4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -2.935 3.518 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -2.618 4.374 -5.043 1.00 0.00 H new ATOM 89 N SER A 132 -2.634 6.561 0.133 1.00 0.00 N ATOM 90 CA SER A 132 -2.677 7.486 1.259 1.00 0.00 C ATOM 91 C SER A 132 -1.378 8.284 1.356 1.00 0.00 C ATOM 92 O SER A 132 -0.346 7.875 0.823 1.00 0.00 O ATOM 93 CB SER A 132 -2.927 6.719 2.562 1.00 0.00 C ATOM 94 OG SER A 132 -1.710 6.400 3.216 1.00 0.00 O ATOM 0 H SER A 132 -1.984 5.784 0.250 1.00 0.00 H new ATOM 0 HA SER A 132 -3.496 8.186 1.097 1.00 0.00 H new ATOM 0 HB2 SER A 132 -3.552 7.318 3.225 1.00 0.00 H new ATOM 0 HB3 SER A 132 -3.477 5.803 2.347 1.00 0.00 H new ATOM 0 HG SER A 132 -1.762 6.673 4.156 1.00 0.00 H new ATOM 100 N PRO A 133 -1.410 9.441 2.042 1.00 0.00 N ATOM 101 CA PRO A 133 -0.228 10.295 2.206 1.00 0.00 C ATOM 102 C PRO A 133 0.900 9.583 2.944 1.00 0.00 C ATOM 103 O PRO A 133 2.018 9.481 2.438 1.00 0.00 O ATOM 104 CB PRO A 133 -0.743 11.483 3.027 1.00 0.00 C ATOM 105 CG PRO A 133 -2.002 11.003 3.664 1.00 0.00 C ATOM 106 CD PRO A 133 -2.594 10.006 2.710 1.00 0.00 C ATOM 0 HA PRO A 133 0.197 10.585 1.245 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.014 11.788 3.777 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.929 12.349 2.392 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -1.799 10.544 4.632 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.690 11.830 3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.167 9.239 3.232 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.270 10.481 1.999 1.00 0.00 H new ATOM 114 N ALA A 134 0.601 9.092 4.142 1.00 0.00 N ATOM 115 CA ALA A 134 1.592 8.390 4.946 1.00 0.00 C ATOM 116 C ALA A 134 2.068 7.122 4.241 1.00 0.00 C ATOM 117 O ALA A 134 3.272 6.867 4.136 1.00 0.00 O ATOM 118 CB ALA A 134 1.020 8.054 6.314 1.00 0.00 C ATOM 0 H ALA A 134 -0.319 9.168 4.576 1.00 0.00 H new ATOM 0 HA ALA A 134 2.452 9.047 5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.772 7.530 6.904 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.735 8.974 6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.143 7.418 6.195 1.00 0.00 H new ATOM 124 N ILE A 135 1.119 6.330 3.752 1.00 0.00 N ATOM 125 CA ILE A 135 1.456 5.097 3.056 1.00 0.00 C ATOM 126 C ILE A 135 2.357 5.380 1.865 1.00 0.00 C ATOM 127 O ILE A 135 3.347 4.688 1.658 1.00 0.00 O ATOM 128 CB ILE A 135 0.206 4.339 2.569 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.662 3.925 3.759 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.615 3.118 1.749 1.00 0.00 C ATOM 131 CD1 ILE A 135 -2.050 3.472 3.365 1.00 0.00 C ATOM 0 H ILE A 135 0.119 6.519 3.825 1.00 0.00 H new ATOM 0 HA ILE A 135 1.978 4.469 3.777 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.380 5.001 1.932 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.165 3.119 4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.745 4.766 4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.277 2.591 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.197 3.438 0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.218 2.451 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.609 3.194 4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.566 4.284 2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.977 2.611 2.700 1.00 0.00 H new ATOM 143 N ARG A 136 2.018 6.402 1.085 1.00 0.00 N ATOM 144 CA ARG A 136 2.820 6.755 -0.081 1.00 0.00 C ATOM 145 C ARG A 136 4.286 6.861 0.312 1.00 0.00 C ATOM 146 O ARG A 136 5.177 6.492 -0.453 1.00 0.00 O ATOM 147 CB ARG A 136 2.335 8.072 -0.692 1.00 0.00 C ATOM 148 CG ARG A 136 1.235 7.891 -1.726 1.00 0.00 C ATOM 149 CD ARG A 136 0.414 9.160 -1.896 1.00 0.00 C ATOM 150 NE ARG A 136 0.989 10.054 -2.899 1.00 0.00 N ATOM 151 CZ ARG A 136 0.854 9.881 -4.212 1.00 0.00 C ATOM 152 NH1 ARG A 136 0.163 8.849 -4.685 1.00 0.00 N ATOM 153 NH2 ARG A 136 1.411 10.740 -5.054 1.00 0.00 N ATOM 0 H ARG A 136 1.202 6.995 1.237 1.00 0.00 H new ATOM 0 HA ARG A 136 2.710 5.972 -0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.971 8.721 0.105 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.180 8.581 -1.157 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.676 7.611 -2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.582 7.072 -1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -0.604 8.897 -2.185 1.00 0.00 H new ATOM 0 HD3 ARG A 136 0.349 9.681 -0.941 1.00 0.00 H new ATOM 0 HE ARG A 136 1.526 10.858 -2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.267 8.185 -4.041 1.00 0.00 H new ATOM 0 HH12 ARG A 136 0.063 8.721 -5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 136 1.943 11.533 -4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 136 1.308 10.608 -6.060 1.00 0.00 H new ATOM 167 N ARG A 137 4.522 7.332 1.531 1.00 0.00 N ATOM 168 CA ARG A 137 5.874 7.445 2.047 1.00 0.00 C ATOM 169 C ARG A 137 6.409 6.051 2.336 1.00 0.00 C ATOM 170 O ARG A 137 7.563 5.738 2.045 1.00 0.00 O ATOM 171 CB ARG A 137 5.894 8.292 3.321 1.00 0.00 C ATOM 172 CG ARG A 137 7.288 8.735 3.735 1.00 0.00 C ATOM 173 CD ARG A 137 7.268 10.113 4.378 1.00 0.00 C ATOM 174 NE ARG A 137 8.436 10.908 4.007 1.00 0.00 N ATOM 175 CZ ARG A 137 8.654 11.376 2.779 1.00 0.00 C ATOM 176 NH1 ARG A 137 7.788 11.131 1.804 1.00 0.00 N ATOM 177 NH2 ARG A 137 9.742 12.091 2.525 1.00 0.00 N ATOM 0 H ARG A 137 3.795 7.640 2.176 1.00 0.00 H new ATOM 0 HA ARG A 137 6.504 7.935 1.305 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.271 9.174 3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.447 7.721 4.134 1.00 0.00 H new ATOM 0 HG2 ARG A 137 7.708 8.012 4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 137 7.940 8.749 2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.362 10.639 4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.232 10.006 5.462 1.00 0.00 H new ATOM 0 HE ARG A 137 9.124 11.117 4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 137 6.950 10.582 1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 137 7.961 11.492 0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 137 10.412 12.283 3.270 1.00 0.00 H new ATOM 0 HH22 ARG A 137 9.909 12.449 1.585 1.00 0.00 H new ATOM 191 N LEU A 138 5.546 5.213 2.905 1.00 0.00 N ATOM 192 CA LEU A 138 5.913 3.839 3.226 1.00 0.00 C ATOM 193 C LEU A 138 6.276 3.062 1.962 1.00 0.00 C ATOM 194 O LEU A 138 7.352 2.472 1.876 1.00 0.00 O ATOM 195 CB LEU A 138 4.765 3.134 3.952 1.00 0.00 C ATOM 196 CG LEU A 138 5.055 1.688 4.355 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.195 1.634 5.360 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.808 1.031 4.927 1.00 0.00 C ATOM 0 H LEU A 138 4.588 5.463 3.153 1.00 0.00 H new ATOM 0 HA LEU A 138 6.785 3.870 3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.516 3.703 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.884 3.148 3.310 1.00 0.00 H new ATOM 0 HG LEU A 138 5.354 1.137 3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.388 0.597 5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.092 2.064 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 138 5.923 2.202 6.250 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.035 0.003 5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.477 1.583 5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.017 1.036 4.177 1.00 0.00 H new ATOM 210 N LEU A 139 5.380 3.075 0.975 1.00 0.00 N ATOM 211 CA LEU A 139 5.622 2.377 -0.281 1.00 0.00 C ATOM 212 C LEU A 139 6.889 2.902 -0.930 1.00 0.00 C ATOM 213 O LEU A 139 7.694 2.140 -1.466 1.00 0.00 O ATOM 214 CB LEU A 139 4.436 2.556 -1.231 1.00 0.00 C ATOM 215 CG LEU A 139 3.183 1.760 -0.862 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.929 2.546 -1.216 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.187 0.411 -1.564 1.00 0.00 C ATOM 0 H LEU A 139 4.484 3.560 1.023 1.00 0.00 H new ATOM 0 HA LEU A 139 5.742 1.314 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.177 3.614 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.748 2.268 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 139 3.186 1.588 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.047 1.965 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.924 3.488 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.917 2.749 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.289 -0.144 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.206 0.563 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.068 -0.154 -1.261 1.00 0.00 H new ATOM 229 N ALA A 140 7.064 4.215 -0.859 1.00 0.00 N ATOM 230 CA ALA A 140 8.243 4.857 -1.422 1.00 0.00 C ATOM 231 C ALA A 140 9.503 4.344 -0.736 1.00 0.00 C ATOM 232 O ALA A 140 10.554 4.205 -1.363 1.00 0.00 O ATOM 233 CB ALA A 140 8.138 6.368 -1.288 1.00 0.00 C ATOM 0 H ALA A 140 6.404 4.855 -0.417 1.00 0.00 H new ATOM 0 HA ALA A 140 8.303 4.610 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 140 9.027 6.834 -1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.254 6.720 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.058 6.635 -0.234 1.00 0.00 H new ATOM 239 N GLU A 141 9.384 4.057 0.556 1.00 0.00 N ATOM 240 CA GLU A 141 10.501 3.551 1.338 1.00 0.00 C ATOM 241 C GLU A 141 10.806 2.104 0.971 1.00 0.00 C ATOM 242 O GLU A 141 11.955 1.739 0.727 1.00 0.00 O ATOM 243 CB GLU A 141 10.192 3.653 2.833 1.00 0.00 C ATOM 244 CG GLU A 141 10.106 5.083 3.340 1.00 0.00 C ATOM 245 CD GLU A 141 11.445 5.614 3.815 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.405 5.602 3.017 1.00 0.00 O ATOM 247 OE2 GLU A 141 11.531 6.043 4.985 1.00 0.00 O ATOM 0 H GLU A 141 8.519 4.168 1.084 1.00 0.00 H new ATOM 0 HA GLU A 141 11.377 4.160 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.248 3.147 3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.964 3.124 3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 141 9.726 5.724 2.545 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.388 5.132 4.159 1.00 0.00 H new ATOM 254 N HIS A 142 9.759 1.288 0.931 1.00 0.00 N ATOM 255 CA HIS A 142 9.898 -0.123 0.591 1.00 0.00 C ATOM 256 C HIS A 142 10.253 -0.305 -0.884 1.00 0.00 C ATOM 257 O HIS A 142 10.607 -1.402 -1.314 1.00 0.00 O ATOM 258 CB HIS A 142 8.602 -0.874 0.907 1.00 0.00 C ATOM 259 CG HIS A 142 8.352 -1.055 2.372 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.783 -2.157 3.081 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.708 -0.266 3.265 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.413 -2.038 4.344 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.761 -0.900 4.482 1.00 0.00 N ATOM 0 H HIS A 142 8.802 1.580 1.130 1.00 0.00 H new ATOM 0 HA HIS A 142 10.710 -0.533 1.192 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.763 -0.333 0.469 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.635 -1.853 0.429 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.306 -2.941 2.691 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.240 0.685 3.058 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.611 -2.752 5.130 1.00 0.00 H new ATOM 272 N ASN A 143 10.154 0.775 -1.658 1.00 0.00 N ATOM 273 CA ASN A 143 10.463 0.726 -3.083 1.00 0.00 C ATOM 274 C ASN A 143 9.508 -0.213 -3.810 1.00 0.00 C ATOM 275 O ASN A 143 9.917 -0.982 -4.681 1.00 0.00 O ATOM 276 CB ASN A 143 11.910 0.275 -3.300 1.00 0.00 C ATOM 277 CG ASN A 143 12.896 1.420 -3.181 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.944 2.307 -4.035 1.00 0.00 O ATOM 279 ND2 ASN A 143 13.691 1.409 -2.117 1.00 0.00 N ATOM 0 H ASN A 143 9.862 1.693 -1.321 1.00 0.00 H new ATOM 0 HA ASN A 143 10.341 1.729 -3.492 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.161 -0.495 -2.570 1.00 0.00 H new ATOM 0 HB3 ASN A 143 12.002 -0.179 -4.287 1.00 0.00 H new ATOM 0 HD21 ASN A 143 14.374 2.154 -1.983 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.618 0.655 -1.434 1.00 0.00 H new ATOM 286 N LEU A 144 8.231 -0.144 -3.447 1.00 0.00 N ATOM 287 CA LEU A 144 7.214 -0.987 -4.063 1.00 0.00 C ATOM 288 C LEU A 144 6.402 -0.204 -5.088 1.00 0.00 C ATOM 289 O LEU A 144 6.625 0.989 -5.294 1.00 0.00 O ATOM 290 CB LEU A 144 6.281 -1.562 -2.997 1.00 0.00 C ATOM 291 CG LEU A 144 6.975 -2.048 -1.726 1.00 0.00 C ATOM 292 CD1 LEU A 144 5.958 -2.284 -0.621 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.768 -3.315 -2.003 1.00 0.00 C ATOM 0 H LEU A 144 7.876 0.488 -2.729 1.00 0.00 H new ATOM 0 HA LEU A 144 7.722 -1.805 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.551 -0.800 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.727 -2.394 -3.431 1.00 0.00 H new ATOM 0 HG LEU A 144 7.669 -1.275 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.470 -2.630 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.434 -1.353 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.240 -3.038 -0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.256 -3.647 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.095 -4.095 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.523 -3.113 -2.763 1.00 0.00 H new ATOM 305 N ASP A 145 5.459 -0.886 -5.727 1.00 0.00 N ATOM 306 CA ASP A 145 4.608 -0.262 -6.731 1.00 0.00 C ATOM 307 C ASP A 145 3.135 -0.457 -6.388 1.00 0.00 C ATOM 308 O ASP A 145 2.634 -1.580 -6.381 1.00 0.00 O ATOM 309 CB ASP A 145 4.904 -0.843 -8.114 1.00 0.00 C ATOM 310 CG ASP A 145 4.796 0.195 -9.214 1.00 0.00 C ATOM 311 OD1 ASP A 145 4.997 1.392 -8.921 1.00 0.00 O ATOM 312 OD2 ASP A 145 4.510 -0.190 -10.368 1.00 0.00 O ATOM 0 H ASP A 145 5.265 -1.874 -5.566 1.00 0.00 H new ATOM 0 HA ASP A 145 4.823 0.807 -6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.907 -1.270 -8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.210 -1.658 -8.318 1.00 0.00 H new ATOM 317 N ALA A 146 2.445 0.645 -6.105 1.00 0.00 N ATOM 318 CA ALA A 146 1.027 0.593 -5.762 1.00 0.00 C ATOM 319 C ALA A 146 0.239 -0.214 -6.789 1.00 0.00 C ATOM 320 O ALA A 146 -0.587 -1.054 -6.432 1.00 0.00 O ATOM 321 CB ALA A 146 0.461 2.000 -5.646 1.00 0.00 C ATOM 0 H ALA A 146 2.844 1.584 -6.106 1.00 0.00 H new ATOM 0 HA ALA A 146 0.931 0.093 -4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.597 1.947 -5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.996 2.544 -4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 146 0.578 2.519 -6.597 1.00 0.00 H new ATOM 327 N SER A 147 0.503 0.045 -8.065 1.00 0.00 N ATOM 328 CA SER A 147 -0.180 -0.658 -9.145 1.00 0.00 C ATOM 329 C SER A 147 0.067 -2.163 -9.063 1.00 0.00 C ATOM 330 O SER A 147 -0.691 -2.956 -9.623 1.00 0.00 O ATOM 331 CB SER A 147 0.285 -0.127 -10.501 1.00 0.00 C ATOM 332 OG SER A 147 0.800 1.189 -10.386 1.00 0.00 O ATOM 0 H SER A 147 1.185 0.736 -8.377 1.00 0.00 H new ATOM 0 HA SER A 147 -1.250 -0.479 -9.039 1.00 0.00 H new ATOM 0 HB2 SER A 147 1.051 -0.786 -10.909 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.549 -0.134 -11.203 1.00 0.00 H new ATOM 0 HG SER A 147 1.092 1.504 -11.267 1.00 0.00 H new ATOM 338 N ALA A 148 1.130 -2.552 -8.362 1.00 0.00 N ATOM 339 CA ALA A 148 1.469 -3.961 -8.211 1.00 0.00 C ATOM 340 C ALA A 148 0.804 -4.558 -6.974 1.00 0.00 C ATOM 341 O ALA A 148 0.613 -5.770 -6.885 1.00 0.00 O ATOM 342 CB ALA A 148 2.979 -4.133 -8.135 1.00 0.00 C ATOM 0 H ALA A 148 1.769 -1.911 -7.891 1.00 0.00 H new ATOM 0 HA ALA A 148 1.095 -4.495 -9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.220 -5.190 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.435 -3.753 -9.049 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.366 -3.580 -7.279 1.00 0.00 H new ATOM 348 N ILE A 149 0.454 -3.698 -6.022 1.00 0.00 N ATOM 349 CA ILE A 149 -0.188 -4.141 -4.790 1.00 0.00 C ATOM 350 C ILE A 149 -1.686 -3.852 -4.819 1.00 0.00 C ATOM 351 O ILE A 149 -2.157 -3.054 -5.628 1.00 0.00 O ATOM 352 CB ILE A 149 0.435 -3.459 -3.556 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.957 -3.397 -3.693 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.043 -4.199 -2.285 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.642 -2.703 -2.535 1.00 0.00 C ATOM 0 H ILE A 149 0.604 -2.691 -6.081 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.030 -5.217 -4.717 1.00 0.00 H new ATOM 0 HB ILE A 149 0.053 -2.440 -3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.347 -4.411 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.209 -2.878 -4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.491 -3.705 -1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.042 -4.195 -2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.399 -5.228 -2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.719 -2.697 -2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.280 -1.678 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.420 -3.235 -1.610 1.00 0.00 H new ATOM 367 N LYS A 150 -2.428 -4.505 -3.930 1.00 0.00 N ATOM 368 CA LYS A 150 -3.872 -4.318 -3.855 1.00 0.00 C ATOM 369 C LYS A 150 -4.264 -3.624 -2.555 1.00 0.00 C ATOM 370 O LYS A 150 -3.496 -3.610 -1.592 1.00 0.00 O ATOM 371 CB LYS A 150 -4.589 -5.666 -3.964 1.00 0.00 C ATOM 372 CG LYS A 150 -4.308 -6.402 -5.263 1.00 0.00 C ATOM 373 CD LYS A 150 -4.255 -7.905 -5.053 1.00 0.00 C ATOM 374 CE LYS A 150 -4.253 -8.653 -6.376 1.00 0.00 C ATOM 375 NZ LYS A 150 -3.654 -10.010 -6.248 1.00 0.00 N ATOM 0 H LYS A 150 -2.053 -5.168 -3.252 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.175 -3.685 -4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -4.289 -6.296 -3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.663 -5.505 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.082 -6.163 -5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.361 -6.058 -5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.360 -8.163 -4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -5.111 -8.220 -4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.275 -8.741 -6.744 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -3.696 -8.079 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -3.672 -10.486 -7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -2.670 -9.926 -5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.201 -10.567 -5.561 1.00 0.00 H new ATOM 389 N GLY A 151 -5.461 -3.047 -2.535 1.00 0.00 N ATOM 390 CA GLY A 151 -5.932 -2.357 -1.349 1.00 0.00 C ATOM 391 C GLY A 151 -7.194 -2.974 -0.779 1.00 0.00 C ATOM 392 O GLY A 151 -8.066 -3.417 -1.526 1.00 0.00 O ATOM 0 H GLY A 151 -6.113 -3.045 -3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.150 -2.371 -0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.121 -1.311 -1.592 1.00 0.00 H new ATOM 396 N THR A 152 -7.293 -3.000 0.546 1.00 0.00 N ATOM 397 CA THR A 152 -8.460 -3.565 1.215 1.00 0.00 C ATOM 398 C THR A 152 -9.159 -2.514 2.074 1.00 0.00 C ATOM 399 O THR A 152 -9.831 -2.844 3.052 1.00 0.00 O ATOM 400 CB THR A 152 -8.050 -4.757 2.079 1.00 0.00 C ATOM 401 OG1 THR A 152 -7.093 -4.369 3.049 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.457 -5.898 1.281 1.00 0.00 C ATOM 0 H THR A 152 -6.580 -2.637 1.178 1.00 0.00 H new ATOM 0 HA THR A 152 -9.158 -3.903 0.449 1.00 0.00 H new ATOM 0 HB THR A 152 -8.971 -5.103 2.549 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.191 -4.534 2.703 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.187 -6.712 1.954 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.189 -6.254 0.556 1.00 0.00 H new ATOM 0 HG23 THR A 152 -6.567 -5.551 0.757 1.00 0.00 H new ATOM 410 N GLY A 153 -8.996 -1.248 1.702 1.00 0.00 N ATOM 411 CA GLY A 153 -9.618 -0.169 2.447 1.00 0.00 C ATOM 412 C GLY A 153 -11.109 -0.077 2.198 1.00 0.00 C ATOM 413 O GLY A 153 -11.762 -1.082 1.918 1.00 0.00 O ATOM 0 H GLY A 153 -8.444 -0.950 0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.439 -0.317 3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -9.148 0.776 2.173 1.00 0.00 H new ATOM 417 N VAL A 154 -11.649 1.134 2.294 1.00 0.00 N ATOM 418 CA VAL A 154 -13.072 1.353 2.073 1.00 0.00 C ATOM 419 C VAL A 154 -13.420 1.196 0.597 1.00 0.00 C ATOM 420 O VAL A 154 -13.742 2.170 -0.087 1.00 0.00 O ATOM 421 CB VAL A 154 -13.508 2.753 2.548 1.00 0.00 C ATOM 422 CG1 VAL A 154 -15.023 2.887 2.500 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.986 3.027 3.951 1.00 0.00 C ATOM 0 H VAL A 154 -11.122 1.977 2.523 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.606 0.602 2.656 1.00 0.00 H new ATOM 0 HB VAL A 154 -13.080 3.495 1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -15.311 3.882 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.369 2.738 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.475 2.137 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -13.303 4.020 4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -13.383 2.281 4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.897 2.977 3.950 1.00 0.00 H new ATOM 433 N GLY A 155 -13.347 -0.038 0.108 1.00 0.00 N ATOM 434 CA GLY A 155 -13.652 -0.305 -1.285 1.00 0.00 C ATOM 435 C GLY A 155 -12.468 -0.888 -2.034 1.00 0.00 C ATOM 436 O GLY A 155 -12.642 -1.623 -3.006 1.00 0.00 O ATOM 0 H GLY A 155 -13.082 -0.859 0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.492 -0.997 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.966 0.620 -1.769 1.00 0.00 H new ATOM 440 N GLY A 156 -11.262 -0.563 -1.577 1.00 0.00 N ATOM 441 CA GLY A 156 -10.065 -1.070 -2.222 1.00 0.00 C ATOM 442 C GLY A 156 -8.907 -0.092 -2.158 1.00 0.00 C ATOM 443 O GLY A 156 -8.211 0.119 -3.151 1.00 0.00 O ATOM 0 H GLY A 156 -11.093 0.041 -0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.771 -2.007 -1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.287 -1.296 -3.265 1.00 0.00 H new ATOM 447 N ARG A 157 -8.700 0.508 -0.989 1.00 0.00 N ATOM 448 CA ARG A 157 -7.617 1.467 -0.808 1.00 0.00 C ATOM 449 C ARG A 157 -6.389 0.793 -0.196 1.00 0.00 C ATOM 450 O ARG A 157 -6.513 -0.100 0.641 1.00 0.00 O ATOM 451 CB ARG A 157 -8.094 2.648 0.060 1.00 0.00 C ATOM 452 CG ARG A 157 -7.708 2.566 1.535 1.00 0.00 C ATOM 453 CD ARG A 157 -6.544 3.488 1.865 1.00 0.00 C ATOM 454 NE ARG A 157 -6.977 4.661 2.623 1.00 0.00 N ATOM 455 CZ ARG A 157 -6.226 5.282 3.531 1.00 0.00 C ATOM 456 NH1 ARG A 157 -4.997 4.856 3.797 1.00 0.00 N ATOM 457 NH2 ARG A 157 -6.706 6.336 4.176 1.00 0.00 N ATOM 0 H ARG A 157 -9.266 0.347 -0.156 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.327 1.854 -1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.688 3.571 -0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -9.179 2.716 -0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -8.567 2.830 2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -7.441 1.539 1.785 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -5.798 2.939 2.440 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.062 3.810 0.942 1.00 0.00 H new ATOM 0 HE ARG A 157 -7.913 5.027 2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -4.620 4.046 3.304 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -4.430 5.338 4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.649 6.670 3.977 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -6.132 6.813 4.872 1.00 0.00 H new ATOM 471 N LEU A 158 -5.206 1.230 -0.617 1.00 0.00 N ATOM 472 CA LEU A 158 -3.964 0.668 -0.102 1.00 0.00 C ATOM 473 C LEU A 158 -3.793 1.016 1.371 1.00 0.00 C ATOM 474 O LEU A 158 -3.844 2.185 1.752 1.00 0.00 O ATOM 475 CB LEU A 158 -2.768 1.184 -0.906 1.00 0.00 C ATOM 476 CG LEU A 158 -1.665 0.155 -1.168 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.935 -0.191 0.122 1.00 0.00 C ATOM 478 CD2 LEU A 158 -2.241 -1.101 -1.810 1.00 0.00 C ATOM 0 H LEU A 158 -5.082 1.968 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.011 -0.416 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.129 1.558 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.333 2.032 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.947 0.595 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.155 -0.924 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.484 0.710 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.642 -0.608 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -1.440 -1.819 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.983 -1.542 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -2.712 -0.842 -2.758 1.00 0.00 H new ATOM 490 N THR A 159 -3.594 -0.004 2.198 1.00 0.00 N ATOM 491 CA THR A 159 -3.420 0.200 3.633 1.00 0.00 C ATOM 492 C THR A 159 -2.116 -0.420 4.121 1.00 0.00 C ATOM 493 O THR A 159 -1.527 -1.268 3.449 1.00 0.00 O ATOM 494 CB THR A 159 -4.599 -0.403 4.402 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.075 -1.571 3.758 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.766 0.548 4.552 1.00 0.00 C ATOM 0 H THR A 159 -3.549 -0.979 1.901 1.00 0.00 H new ATOM 0 HA THR A 159 -3.382 1.274 3.816 1.00 0.00 H new ATOM 0 HB THR A 159 -4.209 -0.631 5.394 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.399 -1.895 3.127 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.566 0.057 5.106 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.443 1.438 5.092 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.131 0.835 3.566 1.00 0.00 H new ATOM 504 N ARG A 160 -1.674 0.004 5.303 1.00 0.00 N ATOM 505 CA ARG A 160 -0.444 -0.515 5.885 1.00 0.00 C ATOM 506 C ARG A 160 -0.506 -2.034 5.992 1.00 0.00 C ATOM 507 O ARG A 160 0.517 -2.716 5.930 1.00 0.00 O ATOM 508 CB ARG A 160 -0.209 0.099 7.268 1.00 0.00 C ATOM 509 CG ARG A 160 1.253 0.125 7.681 1.00 0.00 C ATOM 510 CD ARG A 160 1.594 1.397 8.443 1.00 0.00 C ATOM 511 NE ARG A 160 1.697 2.555 7.557 1.00 0.00 N ATOM 512 CZ ARG A 160 2.288 3.698 7.898 1.00 0.00 C ATOM 513 NH1 ARG A 160 2.829 3.840 9.102 1.00 0.00 N ATOM 514 NH2 ARG A 160 2.337 4.702 7.034 1.00 0.00 N ATOM 0 H ARG A 160 -2.149 0.704 5.873 1.00 0.00 H new ATOM 0 HA ARG A 160 0.387 -0.243 5.234 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.598 1.117 7.275 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.777 -0.465 8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.472 -0.743 8.303 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.884 0.050 6.795 1.00 0.00 H new ATOM 0 HD2 ARG A 160 0.829 1.584 9.197 1.00 0.00 H new ATOM 0 HD3 ARG A 160 2.537 1.261 8.973 1.00 0.00 H new ATOM 0 HE ARG A 160 1.293 2.483 6.623 1.00 0.00 H new ATOM 0 HH11 ARG A 160 2.793 3.071 9.771 1.00 0.00 H new ATOM 0 HH12 ARG A 160 3.281 4.718 9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 160 1.922 4.599 6.108 1.00 0.00 H new ATOM 0 HH22 ARG A 160 2.790 5.578 7.295 1.00 0.00 H new ATOM 528 N GLU A 161 -1.719 -2.558 6.135 1.00 0.00 N ATOM 529 CA GLU A 161 -1.922 -3.996 6.231 1.00 0.00 C ATOM 530 C GLU A 161 -1.663 -4.654 4.881 1.00 0.00 C ATOM 531 O GLU A 161 -1.115 -5.754 4.809 1.00 0.00 O ATOM 532 CB GLU A 161 -3.345 -4.305 6.702 1.00 0.00 C ATOM 533 CG GLU A 161 -3.664 -3.745 8.078 1.00 0.00 C ATOM 534 CD GLU A 161 -4.485 -4.701 8.920 1.00 0.00 C ATOM 535 OE1 GLU A 161 -3.887 -5.592 9.559 1.00 0.00 O ATOM 536 OE2 GLU A 161 -5.726 -4.559 8.941 1.00 0.00 O ATOM 0 H GLU A 161 -2.576 -2.007 6.187 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.219 -4.398 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -4.054 -3.899 5.980 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.488 -5.386 6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.734 -3.516 8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -4.207 -2.806 7.967 1.00 0.00 H new ATOM 543 N ASP A 162 -2.058 -3.967 3.813 1.00 0.00 N ATOM 544 CA ASP A 162 -1.864 -4.477 2.461 1.00 0.00 C ATOM 545 C ASP A 162 -0.380 -4.562 2.129 1.00 0.00 C ATOM 546 O ASP A 162 0.103 -5.591 1.656 1.00 0.00 O ATOM 547 CB ASP A 162 -2.573 -3.578 1.446 1.00 0.00 C ATOM 548 CG ASP A 162 -4.082 -3.689 1.529 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.594 -4.828 1.554 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.753 -2.636 1.568 1.00 0.00 O ATOM 0 H ASP A 162 -2.514 -3.056 3.858 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.293 -5.478 2.409 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.278 -2.542 1.614 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.247 -3.843 0.440 1.00 0.00 H new ATOM 555 N VAL A 163 0.340 -3.475 2.387 1.00 0.00 N ATOM 556 CA VAL A 163 1.773 -3.430 2.120 1.00 0.00 C ATOM 557 C VAL A 163 2.516 -4.442 2.985 1.00 0.00 C ATOM 558 O VAL A 163 3.480 -5.066 2.539 1.00 0.00 O ATOM 559 CB VAL A 163 2.351 -2.024 2.375 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.830 -1.976 2.019 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.575 -0.977 1.590 1.00 0.00 C ATOM 0 H VAL A 163 -0.044 -2.616 2.780 1.00 0.00 H new ATOM 0 HA VAL A 163 1.911 -3.680 1.068 1.00 0.00 H new ATOM 0 HB VAL A 163 2.250 -1.801 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.217 -0.975 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.375 -2.696 2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 163 3.959 -2.223 0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 163 1.997 0.009 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.641 -1.198 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.530 -0.991 1.899 1.00 0.00 H new ATOM 571 N GLU A 164 2.061 -4.603 4.223 1.00 0.00 N ATOM 572 CA GLU A 164 2.682 -5.543 5.148 1.00 0.00 C ATOM 573 C GLU A 164 2.493 -6.978 4.665 1.00 0.00 C ATOM 574 O GLU A 164 3.445 -7.758 4.618 1.00 0.00 O ATOM 575 CB GLU A 164 2.091 -5.380 6.551 1.00 0.00 C ATOM 576 CG GLU A 164 2.891 -4.442 7.441 1.00 0.00 C ATOM 577 CD GLU A 164 3.576 -5.166 8.584 1.00 0.00 C ATOM 578 OE1 GLU A 164 2.969 -6.104 9.142 1.00 0.00 O ATOM 579 OE2 GLU A 164 4.720 -4.795 8.921 1.00 0.00 O ATOM 0 H GLU A 164 1.265 -4.095 4.608 1.00 0.00 H new ATOM 0 HA GLU A 164 3.750 -5.327 5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 164 1.071 -5.005 6.466 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.032 -6.358 7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.641 -3.928 6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 164 2.228 -3.677 7.845 1.00 0.00 H new ATOM 586 N LYS A 165 1.259 -7.317 4.306 1.00 0.00 N ATOM 587 CA LYS A 165 0.945 -8.656 3.823 1.00 0.00 C ATOM 588 C LYS A 165 1.692 -8.952 2.527 1.00 0.00 C ATOM 589 O LYS A 165 2.113 -10.084 2.285 1.00 0.00 O ATOM 590 CB LYS A 165 -0.562 -8.802 3.601 1.00 0.00 C ATOM 591 CG LYS A 165 -1.309 -9.321 4.819 1.00 0.00 C ATOM 592 CD LYS A 165 -2.631 -8.597 5.015 1.00 0.00 C ATOM 593 CE LYS A 165 -3.659 -9.024 3.980 1.00 0.00 C ATOM 594 NZ LYS A 165 -3.749 -8.055 2.854 1.00 0.00 N ATOM 0 H LYS A 165 0.461 -6.683 4.341 1.00 0.00 H new ATOM 0 HA LYS A 165 1.264 -9.373 4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.975 -7.834 3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.734 -9.479 2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.492 -10.390 4.706 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -0.690 -9.196 5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -3.014 -8.801 6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.471 -7.521 4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.396 -10.008 3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -4.635 -9.119 4.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -4.551 -8.308 2.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -3.891 -7.096 3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -2.869 -8.083 2.301 1.00 0.00 H new ATOM 608 N TRP A 166 1.855 -7.927 1.697 1.00 0.00 N ATOM 609 CA TRP A 166 2.552 -8.075 0.426 1.00 0.00 C ATOM 610 C TRP A 166 4.054 -8.227 0.646 1.00 0.00 C ATOM 611 O TRP A 166 4.701 -9.071 0.026 1.00 0.00 O ATOM 612 CB TRP A 166 2.279 -6.869 -0.473 1.00 0.00 C ATOM 613 CG TRP A 166 2.860 -7.008 -1.847 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.141 -6.729 -2.228 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.180 -7.458 -3.025 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.299 -6.979 -3.569 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.110 -7.427 -4.081 1.00 0.00 C ATOM 618 CE3 TRP A 166 0.875 -7.885 -3.288 1.00 0.00 C ATOM 619 CZ2 TRP A 166 2.776 -7.807 -5.379 1.00 0.00 C ATOM 620 CZ3 TRP A 166 0.545 -8.262 -4.577 1.00 0.00 C ATOM 621 CH2 TRP A 166 1.492 -8.221 -5.608 1.00 0.00 C ATOM 0 H TRP A 166 1.513 -6.984 1.883 1.00 0.00 H new ATOM 0 HA TRP A 166 2.179 -8.976 -0.062 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.202 -6.723 -0.555 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.687 -5.975 -0.003 1.00 0.00 H new ATOM 0 HD1 TRP A 166 4.917 -6.365 -1.571 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.162 -6.852 -4.098 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.138 -7.920 -2.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 3.504 -7.776 -6.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 -0.460 -8.594 -4.792 1.00 0.00 H new ATOM 0 HH2 TRP A 166 1.203 -8.522 -6.604 1.00 0.00 H new ATOM 632 N LEU A 167 4.601 -7.403 1.533 1.00 0.00 N ATOM 633 CA LEU A 167 6.027 -7.445 1.838 1.00 0.00 C ATOM 634 C LEU A 167 6.434 -8.818 2.359 1.00 0.00 C ATOM 635 O LEU A 167 7.517 -9.315 2.051 1.00 0.00 O ATOM 636 CB LEU A 167 6.380 -6.370 2.867 1.00 0.00 C ATOM 637 CG LEU A 167 6.502 -4.952 2.307 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.282 -3.923 3.405 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.860 -4.753 1.652 1.00 0.00 C ATOM 0 H LEU A 167 4.079 -6.698 2.053 1.00 0.00 H new ATOM 0 HA LEU A 167 6.576 -7.251 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.619 -6.372 3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.324 -6.639 3.342 1.00 0.00 H new ATOM 0 HG LEU A 167 5.731 -4.814 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.373 -2.920 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.286 -4.051 3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.029 -4.059 4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.929 -3.739 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.647 -4.911 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 167 7.979 -5.467 0.837 1.00 0.00 H new ATOM 651 N ALA A 168 5.558 -9.425 3.150 1.00 0.00 N ATOM 652 CA ALA A 168 5.823 -10.742 3.716 1.00 0.00 C ATOM 653 C ALA A 168 5.936 -11.797 2.622 1.00 0.00 C ATOM 654 O ALA A 168 6.690 -12.762 2.752 1.00 0.00 O ATOM 655 CB ALA A 168 4.730 -11.120 4.705 1.00 0.00 C ATOM 0 H ALA A 168 4.657 -9.026 3.414 1.00 0.00 H new ATOM 0 HA ALA A 168 6.776 -10.699 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.940 -12.106 5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.698 -10.386 5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.768 -11.139 4.194 1.00 0.00 H new ATOM 661 N LYS A 169 5.183 -11.608 1.544 1.00 0.00 N ATOM 662 CA LYS A 169 5.199 -12.544 0.425 1.00 0.00 C ATOM 663 C LYS A 169 5.767 -11.887 -0.828 1.00 0.00 C ATOM 664 O LYS A 169 5.326 -12.168 -1.942 1.00 0.00 O ATOM 665 CB LYS A 169 3.788 -13.064 0.149 1.00 0.00 C ATOM 666 CG LYS A 169 2.821 -11.987 -0.312 1.00 0.00 C ATOM 667 CD LYS A 169 1.456 -12.572 -0.630 1.00 0.00 C ATOM 668 CE LYS A 169 0.337 -11.619 -0.242 1.00 0.00 C ATOM 669 NZ LYS A 169 0.052 -11.661 1.220 1.00 0.00 N ATOM 0 H LYS A 169 4.554 -10.815 1.421 1.00 0.00 H new ATOM 0 HA LYS A 169 5.841 -13.382 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 169 3.840 -13.843 -0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.397 -13.528 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.722 -11.228 0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 169 3.221 -11.490 -1.196 1.00 0.00 H new ATOM 0 HD2 LYS A 169 1.393 -12.794 -1.695 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.331 -13.516 -0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 169 0.609 -10.603 -0.530 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -0.566 -11.876 -0.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -0.811 -11.117 1.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -0.083 -12.648 1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 0.851 -11.248 1.742 1.00 0.00 H new ATOM 683 N ALA A 170 6.749 -11.011 -0.637 1.00 0.00 N ATOM 684 CA ALA A 170 7.377 -10.314 -1.754 1.00 0.00 C ATOM 685 C ALA A 170 8.006 -11.299 -2.733 1.00 0.00 C ATOM 686 O ALA A 170 7.761 -11.162 -3.950 1.00 0.00 O ATOM 687 CB ALA A 170 8.424 -9.335 -1.243 1.00 0.00 C ATOM 688 OXT ALA A 170 8.739 -12.201 -2.274 1.00 0.00 O ATOM 0 H ALA A 170 7.126 -10.767 0.279 1.00 0.00 H new ATOM 0 HA ALA A 170 6.603 -9.759 -2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.885 -8.822 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 170 7.950 -8.604 -0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 170 9.189 -9.877 -0.687 1.00 0.00 H new TER 694 ALA A 170